4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C21H30N2O4 — CID 122023957

IUPAC4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1C1CCC(C)CN1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C21H30N2O4/c1-14-7-12-18(17-5-3-4-6-19(17)27-2)23(13-14)21(26)22-16-10-8-15(9-11-16)20(24)25/h3-6,14-16,18H,7-13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyZEIWISQBRBOQQG-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.82
Rot. Bonds4

About 4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122023957) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122023957
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1C1CCC(C)CN1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C21H30N2O4/c1-14-7-12-18(17-5-3-4-6-19(17)27-2)23(13-14)21(26)22-16-10-8-15(9-11-16)20(24)25/h3-6,14-16,18H,7-13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyZEIWISQBRBOQQG-UHFFFAOYSA-N
XLogP3.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 129487234
4-[(2R,5S)-2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 129487230
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
4-[[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023377
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
(3R,4S)-1-(cyclopropanecarbonyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151849
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025051
4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024211
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229795
cis-(1R,3S)-3-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120679021
4-[[3-(phenoxymethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023727

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122023957) is 4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is COc1ccccc1C1CCC(C)CN1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZEIWISQBRBOQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-14-7-12-18(17-5-3-4-6-19(17)27-2)23(13-14)21(26)22-16-10-8-15(9-11-16)20(24)25/h3-6,14-16,18H,7-13H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 374.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).